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Details

Stereochemistry ACHIRAL
Molecular Formula C19H18BrClN6O
Molecular Weight 461.743
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of TH-4000E

SMILES

CN(C)C\C=C\C(=O)NC1=NC=C2N=CN=C(NC3=CC(Br)=C(Cl)C=C3)C2=C1

InChI

InChIKey=QBACGOWRJDBXSG-ONEGZZNKSA-N
InChI=1S/C19H18BrClN6O/c1-27(2)7-3-4-18(28)26-17-9-13-16(10-22-17)23-11-24-19(13)25-12-5-6-15(21)14(20)8-12/h3-6,8-11H,7H2,1-2H3,(H,22,26,28)(H,23,24,25)/b4-3+

HIDE SMILES / InChI

Molecular Formula C19H18BrClN6O
Molecular Weight 461.743
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 16:00:01 GMT 2025
Edited
by admin
on Wed Apr 02 16:00:01 GMT 2025
Record UNII
MJ8D2M76WN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RN-4000E
Preferred Name English
TH-4000E
Code English
TH4000E
Code English
(2E)-N-{4-[(3-bromo-4-chlorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-4-(dimethylamino)but-2-enamide
Systematic Name English
Tarlox-TKI
Common Name English
RN4000E
Code English
(2E)-N-[4-[(3-Bromo-4-chlorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl]-4-(dimethylamino)-2-butenamide
Systematic Name English
2-Butenamide, N-[4-[(3-bromo-4-chlorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl]-4-(dimethylamino)-, (2E)-
Systematic Name English
Code System Code Type Description
FDA UNII
MJ8D2M76WN
Created by admin on Wed Apr 02 16:00:01 GMT 2025 , Edited by admin on Wed Apr 02 16:00:01 GMT 2025
PRIMARY
CAS
2135696-72-7
Created by admin on Wed Apr 02 16:00:01 GMT 2025 , Edited by admin on Wed Apr 02 16:00:01 GMT 2025
PRIMARY
PUBCHEM
51037658
Created by admin on Wed Apr 02 16:00:01 GMT 2025 , Edited by admin on Wed Apr 02 16:00:01 GMT 2025
PRIMARY
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